Compound Detail
CHEMBL22800
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL22800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUXXIEYIKBWNGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.20
ALogP
4
HBA
0
HBD
50.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 380.0 | nM | 6.42 | Inhibition of rate of incorporation of [3H]GGPP into a biotinylated peptide corr... | 11392531 |
| Protein farnesyltransferase | IC50 | = | 440.0 | nM | 6.36 | Inhibition of rate of incorporation of [3H]FPP into recombinant Ras-CVIM by huma... | 11392531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11392531 | 10.1016/s0960-894x(01)00162-7 | Protein farnesyltransferase | 1 |
| 11392531 | 10.1016/s0960-894x(01)00162-7 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine